Geometry & MOs

Info

ID:

194717

PubChem CID:

78580698

Reduced:

S2N3O7H27C32 (1)

Stoich.:

A2B3C7D27E32 (1)

Weight, g/mol:

645.040675

ΔHf, kcal/mol:

-200.15

Dipole, Da:

4.24

IP(EA), eV:

 -8.84(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(8S)-11-(4-chlorophenyl)-5,10,12-trioxo-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-en-8-yl]phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3[C@H](C4=C(NC(=O)S4)SC3C2=O)C5=CC=C(C=C5)OCC(=O)NC6=CC=CC=C6C

DOS

IR

Vibrations